3-(4-butoxyphenyl)-6-hexyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butoxyphenyl)-6-hexyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-hexyl-phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-hexylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-hexylbenzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-hexyl-phthalonitrile Formula: C24H28N2O MolecularWeight: 360.49192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCC)C#N)C#N

InChI

InChI=1S/C24H28N2O/c1-3-5-7-8-9-19-12-15-22(24(18-26)23(19)17-25)20-10-13-21(14-11-20)27-16-6-4-2/h10-15H,3-9,16H2,1-2H3